![CAS 1245816-27-6 6-Oxa-1-aza-spiro[3,3]heptane-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245816-27-6.gif)
CAS RN: 1245816-27-6
6-Oxa-1-aza-spiro[3,3]heptane-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-028555
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1245816-27-6 / tert-butyl 6-oxa-1-azaspiro[3.3]heptane-1-carboxylate
Basic Information
CAS
1245816-27-6
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(C)(C)OC(=O)N1CCC12COC2
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-5-4-10(11)6-13-7-10/h4-7H2,1-3H3
InChIKey
FIFKIIBTYOOVJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.11
TPSA
38.77
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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